Rethinking the stability of metal nanoclusters: the individual the collective.

Nanoscale

Department of Chemistry and Centre for Atomic Engineering of Advanced Materials, Anhui Province Key Laboratory of Chemistry for Inorganic/Organic Hybrid Functionalized Material, Key Laboratory of Structure and Functional Regulation of Hybrid Materials, Anhui University, Ministry of Education, Anhui University, Hefei, Anhui 230601, P. R. China.

Published: June 2024

AI Article Synopsis

  • Research on metal nanoclusters has largely been conducted separately from studies on their molecular and supramolecular chemistry.
  • We assessed the stability of nanocluster systems by examining both individual cluster properties (molecular conformer energy) and collective properties (supramolecular lattice energy).
  • The study focused on two types of AuCu cluster polymorphs to illustrate how both conformers and crystalline structure affect overall stability, aiming to enhance understanding for future applications.

Article Abstract

Research on the stability of metal nanoclusters and their molecular/supramolecular chemistry has proceeded significantly independently thus far. We herein have demonstrated that the stability of a nanocluster-based system should be assessed from both the cluster individual aspect (, the energy of the molecular conformer) and the cluster collective aspect (, the energy of the supramolecular lattice). A pair of AuCu cluster polymorphs, including AuCu-triclinic and AuCu-trigonal, was developed here to reveal the energy and stability contributions of both cluster conformers and crystalline lattices to their total systems. This work hopefully promotes a comprehensive understanding of the stability of cluster-based nano-systems which is beneficial for their downstream applications.

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Source
http://dx.doi.org/10.1039/d4nr01748jDOI Listing

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